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New qfit ligand

New qfit ligand #1333

Workflow file for this run

name: tests
on:
push:
branches:
- main
- dev
pull_request:
branches:
- main
- dev
jobs:
test:
name: Build & run tests (${{ matrix.python-version }}, ${{ matrix.os }})
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: ['ubuntu-latest', 'macos-latest', 'windows-latest']
python-version: ['3.9', '3.10']
steps:
- uses: actions/checkout@v2
- uses: conda-incubator/setup-miniconda@v2
with:
channels: anaconda,ibmdecisionoptimization
auto-activate-base: false
python-version: ${{ matrix.python-version }}
environment-file: environment.yml
activate-environment: qfit
- name: Conda info
shell: bash -l {0}
run: |
conda info
conda list
- name: Run pytest with the Conda environment
shell: bash -l -o pipefail {0}
run: |
pip install .
conda install pytest hypothesis[numpy]
pytest